methyl 2-phenyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxylate

C23H17F3N2O2 — CID 53299407

IUPACmethyl 2-phenyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccccc3)c(Cc3ccccc3C(F)(F)F)n2c1
InChIInChI=1S/C23H17F3N2O2/c1-30-22(29)17-11-12-20-27-21(15-7-3-2-4-8-15)19(28(20)14-17)13-16-9-5-6-10-18(16)23(24,25)26/h2-12,14H,13H2,1H3
InChIKeyGZZPNDKANWBVMX-UHFFFAOYSA-N
MW410.40 g/mol
LogP5.40
Rot. Bonds4

About methyl 2-phenyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxylate

methyl 2-phenyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 53299407) has the molecular formula C23H17F3N2O2 and a molecular weight of 410.40 g/mol. Its IUPAC name is methyl 2-phenyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-phenyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxylate
PubChem CID53299407
Molecular FormulaC23H17F3N2O2
Molecular Weight410.40 g/mol
Exact Mass410.12
IUPAC Namemethyl 2-phenyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccccc3)c(Cc3ccccc3C(F)(F)F)n2c1
InChIInChI=1S/C23H17F3N2O2/c1-30-22(29)17-11-12-20-27-21(15-7-3-2-4-8-15)19(28(20)14-17)13-16-9-5-6-10-18(16)23(24,25)26/h2-12,14H,13H2,1H3
InChIKeyGZZPNDKANWBVMX-UHFFFAOYSA-N
XLogP5.40
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.40
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-phenyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of methyl 2-phenyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxylate (CID 53299407) is methyl 2-phenyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 2-phenyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 2-phenyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxylate is COC(=O)c1ccc2nc(-c3ccccc3)c(Cc3ccccc3C(F)(F)F)n2c1.
What is the InChIKey of methyl 2-phenyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is GZZPNDKANWBVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N2O2/c1-30-22(29)17-11-12-20-27-21(15-7-3-2-4-8-15)19(28(20)14-17)13-16-9-5-6-10-18(16)23(24,25)26/h2-12,14H,13H2,1H3.
What are the key properties of methyl 2-phenyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxylate?
methyl 2-phenyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxylate has a molecular weight of 410.40 g/mol, XLogP of 5.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-phenyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 53299407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).